⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25836411 | 0.77 | PTPN1 (0.41) | — | |
| SCHEMBL1867990 | 0.75 | — | — | |
| SCHEMBL13998816 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL25865280 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL8059037 | 0.67 | GSK3A (0.33) | — | |
| SCHEMBL25912539 | 0.67 | — | — | |
| SCHEMBL13618063 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL9328801 | 0.65 | ALDH1A1 (0.48) | — | |
| SCHEMBL25835236 | 0.65 | SIGMAR1 (0.42) | — | |
| SCHEMBL27825215 | 0.64 | KDM4E (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1937264-B1 | COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE | MERCK SHARP & DOHME (US) | 2011-06-08 | — | — | EP | disclosed |
| US-7893091-B2 | Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence | MERCK SHARP & DOHME CORP. (US) | 2011-02-22 | — | — | US | disclosed |
| US-7893091-B2 | Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence | MERCK SHARP & DOHME CORP. (US) | 2011-02-22 | — | — | US | disclosed |
| US-20090270406-A1 | Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence | MERCK SHARP & DOHME CORP. | 2009-10-29 | — | — | US | disclosed |
| US-20090270406-A1 | Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence | MERCK SHARP & DOHME CORP. | 2009-10-29 | — | — | US | disclosed |
| US-7468437-B2 | Phenyl pyrrolidine ether tachykinin receptor antagonists | MERCK & CO., INC. (US) | 2008-12-23 | — | — | US | disclosed |
| US-7468437-B2 | Phenyl pyrrolidine ether tachykinin receptor antagonists | MERCK & CO., INC. (US) | 2008-12-23 | — | — | US | disclosed |
| US-20070043015-A1 | Phenyl pyrrolidine ether tachykinin receptor antagonists | MERCK & CO., INC. (US) | 2007-02-22 | — | — | US | disclosed |
| US-20070043015-A1 | Phenyl pyrrolidine ether tachykinin receptor antagonists | MERCK & CO., INC. (US) | 2007-02-22 | — | — | US | disclosed |
| US-4428886-A | FLAVORS | GIVAUDAN CORPORATION (US) | 1984-01-31 | — | — | US | disclosed |
| US-4318855-A | Process for the preparation of alpha-hydroxycarbonyl compounds | GIVAUDAN CORPORATION (US) | 1982-03-09 | — | — | US | disclosed |